3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C9H12N2O3 — CID 18962202

IUPAC3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCNC(=O)C1C2C=CC(O2)C1C(N)=O
InChIInChI=1S/C9H12N2O3/c1-11-9(13)7-5-3-2-4(14-5)6(7)8(10)12/h2-7H,1H3,(H2,10,12)(H,11,13)
InChIKeyHZJNSOSAIOGWEE-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.21
Rot. Bonds2

About 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 18962202) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID18962202
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCNC(=O)C1C2C=CC(O2)C1C(N)=O
InChIInChI=1S/C9H12N2O3/c1-11-9(13)7-5-3-2-4(14-5)6(7)8(10)12/h2-7H,1H3,(H2,10,12)(H,11,13)
InChIKeyHZJNSOSAIOGWEE-UHFFFAOYSA-N
XLogP-1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 18962202) is 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is CNC(=O)C1C2C=CC(O2)C1C(N)=O.
What is the InChIKey of 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is HZJNSOSAIOGWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-9(13)7-5-3-2-4(14-5)6(7)8(10)12/h2-7H,1H3,(H2,10,12)(H,11,13).
What are the key properties of 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 196.21 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 18962202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).